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Chemistry

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Also known as: Zed-1227, 1542132-88-6, T4sr539ykf, Zed1227, Tak-227, Methyl (e,6s)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
Molecular Formula
C26H36N6O6
Molecular Weight
528.6  g/mol
InChI Key
VHGWUSABWIEXKQ-BEBFYNPSSA-N
FDA UNII
T4SR539YKF

Vilagletistat
ZED-1227 is under investigation in clinical trial NCT05305599 (Different Doses of ZED1227 vs. Placebo in NAFLD).
1 2D Structure

Vilagletistat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
2.1.2 InChI
InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
2.1.3 InChI Key
VHGWUSABWIEXKQ-BEBFYNPSSA-N
2.2 Other Identifiers
2.2.1 UNII
T4SR539YKF
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Zed1227

2.3.2 Depositor-Supplied Synonyms

1. Zed-1227

2. 1542132-88-6

3. T4sr539ykf

4. Zed1227

5. Tak-227

6. Methyl (e,6s)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate

7. Methyl (e,6s)-7-((1-(2-(2-ethylbutylamino)-2-oxoethyl)-2-oxopyridin-3-yl)amino)-6-((3-methylimidazole-4-carbonyl)amino)-7-oxohept-2-enoate

8. Refchem:195896

9. Unii-t4sr539ykf

10. Chembl4081588

11. Methyl (s,e)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-2-oxo-1,2-dihydropyridin-3-yl)amino)-6-(1-methyl-1h-imidazole-5-carboxamido)-7-oxohept-2-enoate

12. (2e,6s)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-2-heptenoic Acid Methyl Ester

13. Methyl (e,6s)-7-((1-(2-(2-ethylbutylamino)-2-oxo-ethyl)-2-oxo-3-pyridyl)amino)-6-((3-methylimidazole-4-carbonyl)amino)-7-oxo-hept-2-enoate

14. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester

15. 2-heptenoic Acid, 7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-, Methyl Ester, (2e,6s)-

16. 2-heptenoic Acid, 7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-, Methyl Ester, (2e,6s)-

17. Methyl (2e,6s)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1h-imidazol-5-yl)carbonyl)amino)-7-oxo-2-heptenoate

18. Methyl (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoate

19. Glutaminase

20. Vilagletistat [inn]

21. Orb1706443

22. Schembl16751074

23. Ex-a7845r

24. Gtpl12802

25. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoicacidmethylester

26. Bdbm50245478

27. Akos040742843

28. Hy-19359

29. Ms-29784

30. Cs-0015432

31. G15912

32. (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester; (2e,6s)-7-[[1-[2-[(2-ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1h-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester

2.4 Create Date
2014-03-03
3 Chemical and Physical Properties
Molecular Weight 528.6 g/mol
Molecular Formula C26H36N6O6
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area152
Heavy Atom Count38
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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